Geometry & MOs

Info

ID:	121191
PubChem CID:	50758183
Reduced:	O4N5C20H21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-105.18
Dipole, Da:	2.93
IP(EA), eV:	-9.0(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(cyclopentylcarbamoyl)-7-(3-ethylphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)N=C4N3CCCCC4

DOS

IR

Vibrations